MMsINC Database Search


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MMsINC code: MMs00983030

Type: Neutral
Formula: C₁₉H₁₁ClFN₃O₂

SMILES:

Clc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1oc2cccnc2n1

InChI:

InChI=1/C19H11ClFN3O2/c20-15-8-7-13(23-18(25)11-3-5-12(21)6-4-11)10-14(15)19-24-17-16(26-19)2-1-9-22-17/h1-10H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0611 kcal/mol

Physical Properties
Molecular Weight: 367.767 g/mol	logS: -8.15129	SlogP: 4.9346	Reactive groups: 0

Topological Properties
Globularity: 0.0128659	Sterimol/B1: 2.65059	Sterimol/B2: 2.96222	Sterimol/B3: 3.52923
Sterimol/B4: 7.91888	Sterimol/L: 18.1346

Surface and Volume Properties
Accessible surface: 588.996	Positive charged surface: 293.955	Negative charged surface: 295.041	Volume: 312.5
Hydrophobic surface: 497.232	Hydrophilic surface: 91.764

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.